4-Oxoproline

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Systematic / IUPAC Name: 4-oxopyrrolidine-2-carboxylic acid

ID: Reference1268

Other Names: 4-Oxo-DL-proline

Formula: C5H7NO3

Class: Endogenous Metabolites

Spectral Data

4-Oxoproline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 114
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 12:43:41 PM
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Identificators

InChI InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)
InChI Key HFXAFXVXPMUQCQ-UHFFFAOYSA-N
Canonical SMILES C1C(NCC1=O)C(=O)O
CAS 2002020
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Other Names 4-Oxo-DL-proline

In Other Databases

ChEBI CHEBI:37011; CHEBI:77656
PubChem 413589
ChemSpider 366185
KEGG C01877